4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile

C14H18N2O — CID 608965

IUPAC4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
SMILESCC1C(c2ccccc2)N(C)CCC1(O)C#N
InChIInChI=1S/C14H18N2O/c1-11-13(12-6-4-3-5-7-12)16(2)9-8-14(11,17)10-15/h3-7,11,13,17H,8-9H2,1-2H3
InChIKeyKKZRLAHJKHHEFX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds1

About 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile

4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile (PubChem CID 608965) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
PubChem CID608965
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile
SMILESCC1C(c2ccccc2)N(C)CCC1(O)C#N
InChIInChI=1S/C14H18N2O/c1-11-13(12-6-4-3-5-7-12)16(2)9-8-14(11,17)10-15/h3-7,11,13,17H,8-9H2,1-2H3
InChIKeyKKZRLAHJKHHEFX-UHFFFAOYSA-N
XLogP1.95
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 98341597
(2S,3R,4R,5R)-4-hydroxy-1,3,5-trimethyl-2-phenylpiperidine-4-carbonitrile
CID 100865828
N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide
CID 7071822
(5S,6S,7R)-6,8-dimethyl-7-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dithione
CID 7493843
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
(2S,3S,5R,6R)-1,3,5-trimethyl-2,6-diphenyl-4-propan-2-ylpiperidin-4-ol
CID 7112212
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
CID 71409526
2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile
CID 154345951

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile?
The IUPAC name of 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile (CID 608965) is 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile is CC1C(c2ccccc2)N(C)CCC1(O)C#N.
What is the InChIKey of 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile?
The InChIKey is KKZRLAHJKHHEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-13(12-6-4-3-5-7-12)16(2)9-8-14(11,17)10-15/h3-7,11,13,17H,8-9H2,1-2H3.
What are the key properties of 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile?
4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethyl-2-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 608965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).